13-methoxy-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10(15),11,13-hexaene-1-carboxamide;hydrochloride

C18H19ClN2O2 — CID 25149074

IUPAC13-methoxy-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10(15),11,13-hexaene-1-carboxamide;hydrochloride
SMILESCOc1ccc2c(c1)CC1(C(N)=O)NC2Cc2ccccc21.Cl
InChIInChI=1S/C18H18N2O2.ClH/c1-22-13-6-7-14-12(8-13)10-18(17(19)21)15-5-3-2-4-11(15)9-16(14)20-18;/h2-8,16,20H,9-10H2,1H3,(H2,19,21);1H
InChIKeyCHXPRMMOIAHGHF-UHFFFAOYSA-N
MW330.82 g/mol
LogP2.24
Rot. Bonds2

About 13-methoxy-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10(15),11,13-hexaene-1-carboxamide;hydrochloride

13-methoxy-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10(15),11,13-hexaene-1-carboxamide;hydrochloride (PubChem CID 25149074) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 13-methoxy-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10(15),11,13-hexaene-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name13-methoxy-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10(15),11,13-hexaene-1-carboxamide;hydrochloride
PubChem CID25149074
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name13-methoxy-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10(15),11,13-hexaene-1-carboxamide;hydrochloride
SMILESCOc1ccc2c(c1)CC1(C(N)=O)NC2Cc2ccccc21.Cl
InChIInChI=1S/C18H18N2O2.ClH/c1-22-13-6-7-14-12(8-13)10-18(17(19)21)15-5-3-2-4-11(15)9-16(14)20-18;/h2-8,16,20H,9-10H2,1H3,(H2,19,21);1H
InChIKeyCHXPRMMOIAHGHF-UHFFFAOYSA-N
XLogP2.24
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 13-methoxy-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10(15),11,13-hexaene-1-carboxamide;hydrochloride with MolForge

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Related Compounds

(1R,9S)-13-methoxy-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10(15),11,13-hexaene
CID 15628560
ethyl 16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene-1-carboxylate
CID 14271439
3-methoxy-9,10-dihydrophenanthrene-9-carboxamide
CID 154254625
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 1-cyano-13-methoxy-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10(15),11,13-hexaene-17-carboxylate
CID 25149075
ethyl 6-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxylate
CID 83985310
(4bR,9bS)-8-methoxy-4b,6-dimethyl-9b,10-dihydro-5H-indeno[1,2-b]indole
CID 67733864
9-ethyl-14-methoxytricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-9-ol
CID 59941548
5-methoxy-1-phenyl-1,3-dihydroinden-2-one
CID 14640420
methyl 4-[(1S,3S)-6-methoxy-3-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]benzoate
CID 155125242
7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene;hydrochloride
CID 19889857
13-methoxyhexacyclo[7.7.7.01,9.02,7.011,16.017,22]tricosa-2,4,6,11(16),12,14,17,19,21-nonaen-8-one
CID 14874013
1,2-dimethyl-17-azatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene
CID 23051140

Frequently Asked Questions

What is the IUPAC name of 13-methoxy-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10(15),11,13-hexaene-1-carboxamide;hydrochloride?
The IUPAC name of 13-methoxy-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10(15),11,13-hexaene-1-carboxamide;hydrochloride (CID 25149074) is 13-methoxy-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10(15),11,13-hexaene-1-carboxamide;hydrochloride.
What is the SMILES notation for 13-methoxy-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10(15),11,13-hexaene-1-carboxamide;hydrochloride?
The canonical SMILES for 13-methoxy-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10(15),11,13-hexaene-1-carboxamide;hydrochloride is COc1ccc2c(c1)CC1(C(N)=O)NC2Cc2ccccc21.Cl.
What is the InChIKey of 13-methoxy-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10(15),11,13-hexaene-1-carboxamide;hydrochloride?
The InChIKey is CHXPRMMOIAHGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2.ClH/c1-22-13-6-7-14-12(8-13)10-18(17(19)21)15-5-3-2-4-11(15)9-16(14)20-18;/h2-8,16,20H,9-10H2,1H3,(H2,19,21);1H.
What are the key properties of 13-methoxy-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10(15),11,13-hexaene-1-carboxamide;hydrochloride?
13-methoxy-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10(15),11,13-hexaene-1-carboxamide;hydrochloride has a molecular weight of 330.82 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methoxy-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10(15),11,13-hexaene-1-carboxamide;hydrochloride is sourced from PubChem (CID 25149074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).